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Vapor_Density:
|
3.94 (vs air)
|
|
MF:
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C7H14O
|
|
Water_Solubility:
|
slightly soluble
|
|
Bolling_Point:
|
170.3±8.0 °C at 760 mmHg
|
|
Exact_Mass:
|
114.104462
|
|
More_Info:
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['1 . Appearance Colourless Liquid ，有芳香味。 ', '2 . Boiling point顺式（ºC,1013kPa）173~174 ', '3 . Boiling point反式（ºC,1013kPa）174~1745 ', '4 . Melting point（ºC）-41 ', '5 相对. Density顺式（g/mL,20/20ºC）09145 ', '6 相对. Density反式（g/mL,20/20ºC）09145 ', '7 . Refractive index顺式（215ºC）145327 ', '8 . Refractive index反式（207ºC）145307 ', '9 . Flash point（ºC）70 ', '10 . Vapor pressure（kPa, 750ºC）160 ', '11 . Solubility 微Soluble in Water ，能与醇醚等多数有机溶剂混溶。']
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|
Melting_Point:
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-41 °C
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|
PSA:
|
20.23000
|
|
Flash_Point:
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70.0±0.0 °C
|
|
Refractive_Index:
|
1.463
|
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Density:
|
0.9±0.1 g/cm3
|
|
Molecular_Structure:
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['1 . Molar refractive index 3396 ', '2 . Molar volume 1234 ', '3 . Parachor （902K）2863 ', '4 . Surface tension 289 ', '5 . Polarizability 1346']
|
|
Computational_Chemistry:
|
['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 202 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 628 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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|
FW:
|
114.186
|
|
LogP:
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1.83
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|
Vapor_Pressure:
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0.5±0.7 mmHg at 25°C
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